3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide

C14H20N4O5S — CID 119425175

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCNC1
InChIInChI=1S/C14H20N4O5S/c19-14(17-11-2-1-8-15-10-11)7-9-16-24(22,23)13-5-3-12(4-6-13)18(20)21/h3-6,11,15-16H,1-2,7-10H2,(H,17,19)
InChIKeyLWZPXLNDYSWMGG-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.13
Rot. Bonds7

About 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide

3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide (PubChem CID 119425175) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
PubChem CID119425175
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCNC1
InChIInChI=1S/C14H20N4O5S/c19-14(17-11-2-1-8-15-10-11)7-9-16-24(22,23)13-5-3-12(4-6-13)18(20)21/h3-6,11,15-16H,1-2,7-10H2,(H,17,19)
InChIKeyLWZPXLNDYSWMGG-UHFFFAOYSA-N
XLogP0.13
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
4-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119400810
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119445662
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450802
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide (CID 119425175) is 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCNC1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The InChIKey is LWZPXLNDYSWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c19-14(17-11-2-1-8-15-10-11)7-9-16-24(22,23)13-5-3-12(4-6-13)18(20)21/h3-6,11,15-16H,1-2,7-10H2,(H,17,19).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide has a molecular weight of 356.40 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119425175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).